2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C23H25N7O — CID 122344850

IUPAC2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCc1ccn(-c2cc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)ncn2)n1
InChIInChI=1S/C23H25N7O/c1-17-7-8-30(26-17)22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(31)13-18-15-27(2)20-6-4-3-5-19(18)20/h3-8,14-16H,9-13H2,1-2H3
InChIKeyMFASSTVRFFFEKY-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.35
Rot. Bonds4

About 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 122344850) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID122344850
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCc1ccn(-c2cc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)ncn2)n1
InChIInChI=1S/C23H25N7O/c1-17-7-8-30(26-17)22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(31)13-18-15-27(2)20-6-4-3-5-19(18)20/h3-8,14-16H,9-13H2,1-2H3
InChIKeyMFASSTVRFFFEKY-UHFFFAOYSA-N
XLogP2.35
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122338058
N-[2-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 70703115
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344810
2-(2-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122344765
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
(2-fluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703320
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122344891
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 122344850) is 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone is Cc1ccn(-c2cc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)ncn2)n1.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is MFASSTVRFFFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-17-7-8-30(26-17)22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(31)13-18-15-27(2)20-6-4-3-5-19(18)20/h3-8,14-16H,9-13H2,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 415.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122344850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).